Project name: SH3_R107S

Status: done

submitted: 2019-03-14 15:23:37, status changed: 2019-03-14 16:59:12
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA107S
Energy difference between WT (input) and mutated protein (by FoldX) 1.57951 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.2904
Maximal score value
1.2324
Average score
-0.7823
Total score value
-46.937

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
81 G A -0.4585
82 S A -0.6930
83 H A -0.8003
84 M A 0.2487
85 T A 0.1756
86 F A 0.3779
87 V A 0.0013
88 A A 0.0000
89 L A -0.3125
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2408
99 D A -1.3222
100 L A 0.0000
101 S A -1.9030
102 F A 0.0000
103 K A -3.2904
104 K A -2.6346
105 G A -1.5301
106 E A 0.0000
107 S A -0.2814 mutated: RA107S
108 L A 0.0000
109 Q A 0.0996
110 I A 0.5827
111 V A 1.2324
112 N A -0.4275
113 N A -1.8138
114 T A -1.7326
115 E A -2.9361
116 G A -2.6085
117 D A -2.6844
118 W A -1.3421
119 W A -0.6993
120 L A 0.3954
121 A A 0.0000
122 H A -0.1227
123 S A 0.0000
124 L A 0.4185
125 T A -0.1652
126 T A -0.5828
127 G A -0.7471
128 Q A -1.3771
129 T A -0.4816
130 G A 0.0000
131 Y A 0.2179
132 I A 0.0000
133 P A 0.0000
134 S A -1.2855
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0236
139 P A 0.0334
140 S A 0.0955

 

Laboratory of Theory of Biopolymers 2015